Glycoside
GD062690
Name:
ScopolinFormula:
C16H18O9Smiles:
COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1OAglycone:
COc1cc2ccc(=O)oc2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 354.31 | Num_heavy_atoms: | 25 |
| TPSA: | 138.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD09078
Formula: C10H8O4
Smiles:
COc1cc2ccc(=O)oc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
